Chemical ID: 5023049

CCC(C)COC(=O)CCCC(=O)OCC(C)CC
Chemical ID:
5023049
Name [?]:
bis(2-methylbutyl) pentanedioate
SMILES [?]:
CCC(C)COC(=O)CCCC(=O)OCC(C)CC
InChi [?]:
InChI=1/C15H28O4/c1-5-12(3)10-18-14(16)8-7-9-15(17)19-11-13(4)6-2/h12-13H,5-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,4,17,2,18,10,9,11,5,15,3,16,7,12,8,13,6,14/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19cCCCCCOCOCCCCOOCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H28O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:10.5955
Area:540.715
Solvation:-2.92233
Coulombic:-37.3505
Bond Count [?]
All:18
Single:16
Double:2
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:272.38
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):3.3

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Descriptor Annotations

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